methyl (2S)-2-[(1-methylindol-2-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(1-methylindol-2-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(1-methylindole-2-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(1-methyl-2-indolyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-methylindole-2-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(1-methylindole-2-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2C=C1C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C16H20N2O3S/c1-18-13-7-5-4-6-11(13)10-14(18)15(19)17-12(8-9-22-3)16(20)21-2/h4-7,10,12H,8-9H2,1-3H3,(H,17,19)/t12-/m0/s1